[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 3-methyl-1,2-oxazole-5-carboxylate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 3-methyl-1,2-oxazole-5-carboxylate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl] 3-methylisoxazole-5-carboxylate CAS Name: 3-methyl-5-isoxazolecarboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate Traditional Name: 3-methylisoxazole-5-carboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl] ester Formula: C16H15NO6 MolecularWeight: 317.2934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=NOC(=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C16H15NO6/c1-10-7-15(23-17-10)16(19)22-9-12(18)11-3-4-13-14(8-11)21-6-2-5-20-13/h3-4,7-8H,2,5-6,9H2,1H3